| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 34 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.78 | 9.22 | -69.36 | 0 | 8 | -1 | 105 | 455.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 9.63 | -53.79 | 1 | 8 | 0 | 106 | 456.454 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 8.47 | -17.73 | 1 | 8 | 0 | 102 | 456.454 | 6 | ↓ |
